2-[[5-(4-fluorophenyl)-2-(4-methoxyphenyl)pyrazol-3-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[5-(4-fluorophenyl)-2-(4-methoxyphenyl)pyrazol-3-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[5-(4-fluorophenyl)-2-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3-pyrazolyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[5-(4-fluorophenyl)-2-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[5-(4-fluorophenyl)-2-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C21H24FN4O2+ MolecularWeight: 383.439263

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC(=NN1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC(=NN1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN4O2/c1-25(2)13-12-23-21(27)20-14-19(15-4-6-16(22)7-5-15)24-26(20)17-8-10-18(28-3)11-9-17/h4-11,14H,12-13H2,1-3H3,(H,23,27)/p+1